CID 13517889

2-(boc-amino)-3-buten-1-ol

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

CC(C)(C)OC(=O)NC(CO)C=C

InChI

InChI=1S/C9H17NO3/c1-5-7(6-11)10-8(12)13-9(2,3)4/h5,7,11H,1,6H2,2-4H3,(H,10,12)

InChIKey

HYVYNSIWYIWTCK-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-hydroxybut-3-en-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 187.12085 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	188.12813	143.9
[M+Na]+	210.11007	150.7
[M+NH4]+	205.15467	149.2
[M+K]+	226.08401	148.1
[M-H]-	186.11357	140.9
[M+Na-2H]-	208.09552	144.8
[M]+	187.12030	143.5
[M]-	187.12140	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe